Imet 3146

2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]propanoic acid

Also Known As: Zimet-3164|Imet 3146|Zimet 3164|IMET 3164|ZIMET 31/64|IMET 3146, (+-)-isomer|5-25-17-00018 (Beilstein Handbook Reference)|beta-(1-Phenyl-5-bis-(beta-chloroethyl)amino-2-benzimidazolyl)-DL-alanine|(+-)-alpha-Amino-5-(bis(2-chloroethyl)amino)-1-phenyl-1H-benzimidazole-2-propanoic acid|(+-)-alpha-Amino-5-(bis(2-chloroethyl)amino)-1-phenyl-2-benzimidazolepropionic acid|2-Benzimidazolepropionic acid, alpha-amino-5-(bis(2-chloroethyl)amino)-1-phenyl-, (+-)-|2-amino-3-[5-[bis amino]-1-phenyl-benzoimidazol-2-yl]propanoicacid|2-AMINO-3-[5-[BIS(2-CHLOROETHYL)AMINO]-1-PHENYL-BENZOIMIDAZOL-2-YL]PRO PANOIC ACID|3-{5-[Bis(2-chloroethyl)amino]-1-phenyl-1H-1,3-benzimidazol-2-yl}alanine|3-{5-[bis(2-chloroethyl)amino]-1-phenyl-1H-benzimidazol-2-yl}alanine|2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]propanoic acid|alpha-Amino-5-(bis(2-chloroethyl)amino)-1-phenyl-1H-benzimidazole-2-propanoic acid

Molecular Formula	C20H22Cl2N4O2
Molecular Weight	420.11197 g/mol
LogP	1.1
Topological Polar Surface Area	84.4 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	9
Exact Mass	420.11197
Monoisotopic Mass	420.11197
Heavy Atoms	28
Complexity	501.0

Chemical Identifiers

CAS Number	32021-40-2
SMILES	C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(CCCl)CCCl)N=C2CC(C(=O)O)N
InChIKey	NMSSNIMMZNQSNV-UHFFFAOYSA-N